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Chemical ID: 4122445
Chemical ID:
4122445
Name [?]:
3-isopropoxy-N-(2-thienylmethyl)propan-1-amine
SMILES [?]:
CC(C)OCCCNCc1cccs1
InChi [?]:
InChI=1/C11H19NOS/c1-10(2)13-7-4-6-12-9-11-5-3-8-14-11/h3,5,8,10,12H,4,6-7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,6,11,7,5,13,9,2,10,8,4,14/E:(1,2)/rA:14nCCCOCCCNCCCCCS/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28944 |
Area: | 436.511 |
Solvation: | -2.62333 |
Coulombic: | -17.8081 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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